1-[2-(3-hydroxyazetidin-1-yl)ethyl]-3-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-5-(trifluoromethyl)pyridin-2-one

C24H26F3N5O3 — CID 166556260

IUPAC1-[2-(3-hydroxyazetidin-1-yl)ethyl]-3-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-5-(trifluoromethyl)pyridin-2-one
SMILESCn1cnnc1CC1(c2cccc(-c3cc(C(F)(F)F)cn(CCN4CC(O)C4)c3=O)c2)COC1
InChIInChI=1S/C24H26F3N5O3/c1-30-15-28-29-21(30)9-23(13-35-14-23)17-4-2-3-16(7-17)20-8-18(24(25,26)27)10-32(22(20)34)6-5-31-11-19(33)12-31/h2-4,7-8,10,15,19,33H,5-6,9,11-14H2,1H3
InChIKeyJDSABJNOHZURSJ-UHFFFAOYSA-N
MW489.50 g/mol
LogP1.85
Rot. Bonds7

About 1-[2-(3-hydroxyazetidin-1-yl)ethyl]-3-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-5-(trifluoromethyl)pyridin-2-one

1-[2-(3-hydroxyazetidin-1-yl)ethyl]-3-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-5-(trifluoromethyl)pyridin-2-one (PubChem CID 166556260) has the molecular formula C24H26F3N5O3 and a molecular weight of 489.50 g/mol. Its IUPAC name is 1-[2-(3-hydroxyazetidin-1-yl)ethyl]-3-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[2-(3-hydroxyazetidin-1-yl)ethyl]-3-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-5-(trifluoromethyl)pyridin-2-one
PubChem CID166556260
Molecular FormulaC24H26F3N5O3
Molecular Weight489.50 g/mol
Exact Mass489.20
IUPAC Name1-[2-(3-hydroxyazetidin-1-yl)ethyl]-3-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-5-(trifluoromethyl)pyridin-2-one
SMILESCn1cnnc1CC1(c2cccc(-c3cc(C(F)(F)F)cn(CCN4CC(O)C4)c3=O)c2)COC1
InChIInChI=1S/C24H26F3N5O3/c1-30-15-28-29-21(30)9-23(13-35-14-23)17-4-2-3-16(7-17)20-8-18(24(25,26)27)10-32(22(20)34)6-5-31-11-19(33)12-31/h2-4,7-8,10,15,19,33H,5-6,9,11-14H2,1H3
InChIKeyJDSABJNOHZURSJ-UHFFFAOYSA-N
XLogP1.85
TPSA85.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.50
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[2-(3-hydroxyazetidin-1-yl)ethyl]-3-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-5-(trifluoromethyl)pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-hydroxyazetidin-1-yl)ethyl]-3-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[2-(3-hydroxyazetidin-1-yl)ethyl]-3-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-5-(trifluoromethyl)pyridin-2-one (CID 166556260) is 1-[2-(3-hydroxyazetidin-1-yl)ethyl]-3-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[2-(3-hydroxyazetidin-1-yl)ethyl]-3-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[2-(3-hydroxyazetidin-1-yl)ethyl]-3-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-5-(trifluoromethyl)pyridin-2-one is Cn1cnnc1CC1(c2cccc(-c3cc(C(F)(F)F)cn(CCN4CC(O)C4)c3=O)c2)COC1.
What is the InChIKey of 1-[2-(3-hydroxyazetidin-1-yl)ethyl]-3-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is JDSABJNOHZURSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N5O3/c1-30-15-28-29-21(30)9-23(13-35-14-23)17-4-2-3-16(7-17)20-8-18(24(25,26)27)10-32(22(20)34)6-5-31-11-19(33)12-31/h2-4,7-8,10,15,19,33H,5-6,9,11-14H2,1H3.
What are the key properties of 1-[2-(3-hydroxyazetidin-1-yl)ethyl]-3-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-5-(trifluoromethyl)pyridin-2-one?
1-[2-(3-hydroxyazetidin-1-yl)ethyl]-3-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 489.50 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-hydroxyazetidin-1-yl)ethyl]-3-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 166556260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).